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Dft Namespace Reference

Classes

class  FullMatrix
 
struct  GridParams
 A structure describing the grid settings. More...
 
struct  HiCuGridParams
 A structure describing the HiCu grid settings. More...
 
class  Matrix
 

Functions

real integrate (int ndmat, const FullMatrix *const *dmat, const BasisInfoStruct &bis, const Molecule &mol, const Dft::GridParams &gss, int nThreads, DftBlockCallback cb, void *cb_data)
 
real integrate (int nDmat, const SparseMatrix *const *dmat, const BasisInfoStruct &bis, const Molecule &mol, const Dft::GridParams &gss, int nThreads, DftBlockCallback cb, void *cb_data)
 

Function Documentation

◆ integrate() [1/2]

real Dft::integrate ( int  ndmat,
const FullMatrix *const *  dmat,
const BasisInfoStruct bis,
const Molecule mol,
const Dft::GridParams gss,
int  nThreads,
DftBlockCallback  cb,
void *  cb_data 
)

◆ integrate() [2/2]

real Dft::integrate ( int  nDmat,
const SparseMatrix *const *  dmat,
const BasisInfoStruct bis,
const Molecule mol,
const Dft::GridParams gss,
int  nThreads,
DftBlockCallback  cb,
void *  cb_data 
)